CID 52243

73698-74-5

Structural Information

Molecular Formula
C19H30N2O2
SMILES
CC(C1CCCCC1)NC(C)(C)COC(=O)C2=CC=C(C=C2)N
InChI
InChI=1S/C19H30N2O2/c1-14(15-7-5-4-6-8-15)21-19(2,3)13-23-18(22)16-9-11-17(20)12-10-16/h9-12,14-15,21H,4-8,13,20H2,1-3H3
InChIKey
YBQBBQPIXOERME-UHFFFAOYSA-N
Compound name
[2-(1-cyclohexylethylamino)-2-methylpropyl] 4-aminobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.23074 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.23802 179.2
[M+Na]+ 341.21996 179.8
[M-H]- 317.22346 183.5
[M+NH4]+ 336.26456 192.0
[M+K]+ 357.19390 177.2
[M+H-H2O]+ 301.22800 171.1
[M+HCOO]- 363.22894 196.0
[M+CH3COO]- 377.24459 213.4
[M+Na-2H]- 339.20541 179.2
[M]+ 318.23019 174.0
[M]- 318.23129 174.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.